#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khc n ALA 481 N 0.00 1.50 0.00 0.00 0.00 -1.26 -5.01 120.51 115.74 2khc n ALA 481 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.15 2khc n ALA 481 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2khc n ALA 481 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2khc n GLY 482 N 1.82 2.16 3.17 0.00 0.00 -1.26 -5.07 105.19 106.02 2khc n GLY 482 Ca -0.34 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 2khc n GLY 482 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2khc s LEU 483 N 0.00 5.44 0.26 0.99 2.34 -1.26 -5.09 118.68 121.36 2khc s LEU 483 Ca 0.00 -1.94 0.03 0.00 0.06 0.00 0.00 54.13 52.29 2khc s LEU 483 Cb 0.00 -1.92 -0.03 0.00 -0.56 0.00 0.00 46.19 43.68 2khc s LEU 483 CO 0.00 -0.61 0.40 -2.16 -1.06 0.00 0.00 176.35 172.92 2khc s PRO 484 N 1.26 3.46 0.04 1.48 0.04 -1.26 -5.12 135.00 134.90 2khc s PRO 484 Ca 0.07 -0.62 0.01 0.00 0.04 0.00 0.00 61.00 60.50 2khc s PRO 484 Cb -0.24 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 2khc s PRO 484 CO -0.02 0.37 0.09 1.14 0.04 0.00 0.00 177.00 178.62 2khc s GLN 485 N -3.96 3.02 -0.02 4.56 0.00 -1.26 -5.12 119.66 116.88 2khc s GLN 485 Ca 0.36 -0.58 0.03 0.00 -0.00 0.00 0.00 55.36 55.17 2khc s GLN 485 Cb -0.09 -2.82 -0.03 0.00 0.00 0.00 0.00 33.01 30.07 2khc s GLN 485 CO 0.31 0.61 -0.09 0.12 0.00 0.00 0.00 175.29 176.23 2khc s PHE 486 N -1.32 2.84 0.00 9.60 2.19 -1.26 -4.70 117.98 125.33 2khc s PHE 486 Ca 0.27 -0.06 0.00 0.00 0.33 0.00 0.00 56.93 57.47 2khc s PHE 486 Cb -0.12 -1.62 0.00 0.00 -1.31 0.00 0.00 43.02 39.97 2khc s PHE 486 CO 0.19 0.32 0.00 0.41 1.83 0.00 0.00 175.22 177.97 2khc n GLY 487 N 1.83 1.87 3.73 13.12 0.00 -1.26 -5.10 105.19 119.39 2khc n GLY 487 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 2khc n GLY 487 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2khc s SER 488 N -2.00 7.18 -0.07 1.61 0.15 -1.26 -5.06 113.70 114.25 2khc s SER 488 Ca 0.00 1.41 0.03 0.00 0.70 0.00 0.00 55.95 58.10 2khc s SER 488 Cb 0.00 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 2khc s SER 488 CO 0.00 -0.06 -0.16 0.00 1.20 0.00 0.00 173.24 174.22 2khc s ALA 489 N 0.34 2.57 -0.11 5.45 0.00 -1.26 -5.10 121.76 123.64 2khc s ALA 489 Ca 0.40 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 51.13 2khc s ALA 489 Cb -0.20 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 2khc s ALA 489 CO 0.22 0.46 0.83 -1.12 0.00 0.00 0.00 175.76 176.16 2khc s SER 490 N -0.38 7.05 0.61 0.00 0.01 -1.26 -5.03 113.70 114.70 2khc s SER 490 Ca 0.04 1.28 -0.18 0.00 1.31 0.00 0.00 55.95 58.40 2khc s SER 490 Cb -0.12 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 2khc s SER 490 CO 0.02 -0.31 1.18 0.00 0.41 0.00 0.00 173.24 174.55 2khc s ALA 491 N 1.60 2.50 0.21 1.44 0.00 -1.26 -5.05 121.76 121.20 2khc s ALA 491 Ca 0.41 0.90 0.10 0.00 0.00 0.00 0.00 51.96 53.37 2khc s ALA 491 Cb -0.18 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2khc s ALA 491 CO 0.17 -1.22 -0.12 -0.51 0.00 0.00 0.00 175.76 174.08 2khc s LEU 492 N -4.28 2.85 -0.21 0.00 1.02 -1.26 -5.12 118.68 111.68 2khc s LEU 492 Ca 0.75 -0.69 -0.12 0.00 0.02 0.00 0.00 54.13 54.08 2khc s LEU 492 Cb -0.28 -1.51 -0.05 0.00 0.02 0.00 0.00 46.19 44.38 2khc s LEU 492 CO 0.35 0.09 0.23 -0.55 0.02 0.00 0.00 176.35 176.49 2khc s SER 493 N -2.98 6.26 -0.24 2.29 0.15 -1.26 -5.07 113.70 112.84 2khc s SER 493 Ca 0.25 0.29 -0.09 0.00 0.70 0.00 0.00 55.95 57.11 2khc s SER 493 Cb -0.08 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 2khc s SER 493 CO 0.15 0.06 0.12 0.42 1.20 0.00 0.00 173.24 175.18 2khc s THR 494 N 0.90 4.87 0.05 6.45 -4.23 -1.26 -5.09 115.64 117.34 2khc s THR 494 Ca 0.12 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.69 2khc s THR 494 Cb -0.13 -3.27 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 2khc s THR 494 CO 0.04 0.35 -0.13 -0.55 -0.54 0.00 0.00 174.62 173.78 2khc s SER 495 N 1.26 1.57 1.01 3.99 0.15 -1.26 -4.86 113.70 115.56 2khc s SER 495 Ca 0.06 -0.54 -0.13 0.00 0.70 0.00 0.00 55.95 56.04 2khc s SER 495 Cb -0.14 -0.06 0.20 0.00 -1.71 0.00 0.00 66.02 64.30 2khc s SER 495 CO 0.05 -0.04 1.10 -2.16 1.20 0.00 0.00 173.24 173.39 2khc s PRO 496 N -1.46 0.31 -0.83 5.44 0.04 -1.26 -5.00 135.00 132.24 2khc s PRO 496 Ca -0.01 0.39 -0.08 0.00 0.04 0.00 0.00 61.00 61.33 2khc s PRO 496 Cb -0.09 -1.73 0.21 0.00 0.04 0.00 0.00 34.50 32.93 2khc s PRO 496 CO 0.02 -2.78 0.73 -0.51 0.04 0.00 0.00 177.00 174.50 2khc s LEU 497 N -6.45 6.06 0.10 -3.56 1.43 -1.26 -4.64 118.68 110.35 2khc s LEU 497 Ca 0.66 -3.07 0.00 0.00 -1.03 0.00 0.00 54.13 50.69 2khc s LEU 497 Cb -0.17 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2khc s LEU 497 CO 0.57 -0.40 0.00 0.00 0.23 0.00 0.00 176.35 176.75 2khc n ALA 498 N 3.34 0.00 -3.00 4.21 0.00 -1.26 -5.13 120.51 118.67 2khc n ALA 498 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2khc n ALA 498 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2khc n ALA 498 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2khc n SER 499 N -2.48 0.00 -4.63 0.00 2.88 -1.26 -5.15 113.62 102.98 2khc n SER 499 Ca 0.00 -0.97 -0.36 0.00 -1.33 0.00 0.00 58.87 56.20 2khc n SER 499 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2khc n SER 499 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2khc s VAL 500 N -2.41 5.15 0.52 2.46 -7.23 -1.26 -4.81 120.40 112.81 2khc s VAL 500 Ca 0.00 0.11 -0.19 0.00 -1.81 0.00 0.00 61.98 60.09 2khc s VAL 500 Cb 0.00 -3.39 -0.07 0.00 0.56 0.00 0.00 36.38 33.48 2khc s VAL 500 CO 0.00 0.37 1.04 0.00 -0.31 0.00 0.00 175.10 176.19 2khc s ALA 501 N 0.99 2.85 -0.58 1.32 0.00 -1.26 -5.02 121.76 120.07 2khc s ALA 501 Ca 0.07 0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 2khc s ALA 501 Cb -0.13 -3.23 0.15 0.00 0.00 0.00 0.00 23.12 19.90 2khc s ALA 501 CO 0.04 -0.44 0.43 -0.51 0.00 0.00 0.00 175.76 175.28 2khc s LEU 502 N -3.82 5.66 -1.66 0.00 1.43 -1.26 -4.60 118.68 114.43 2khc s LEU 502 Ca 0.65 -2.39 -0.02 0.00 -1.03 0.00 0.00 54.13 51.34 2khc s LEU 502 Cb -0.15 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.10 2khc s LEU 502 CO 0.25 -0.54 0.23 -1.20 0.23 0.00 0.00 176.35 175.32 2khc n SER 503 N 4.21 -5.89 -4.82 2.29 7.64 -1.26 -4.97 113.62 110.82 2khc n SER 503 Ca 0.02 -0.12 -0.36 0.00 1.01 0.00 0.00 58.87 59.42 2khc n SER 503 Cb 0.41 -4.83 -0.07 0.00 -1.01 0.00 0.00 64.21 58.71 2khc n SER 503 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2khc s ALA 504 N -3.07 3.78 -0.15 -0.43 0.00 -1.26 -5.09 121.76 115.53 2khc s ALA 504 Ca 0.11 -0.60 -0.06 0.00 0.00 0.00 0.00 51.96 51.42 2khc s ALA 504 Cb -0.05 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 2khc s ALA 504 CO 0.14 0.42 0.04 0.00 0.00 0.00 0.00 175.76 176.37 2khc s ALA 505 N -0.49 3.37 -0.30 0.00 0.00 -1.26 -5.01 121.76 118.07 2khc s ALA 505 Ca 0.14 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.36 2khc s ALA 505 Cb -0.12 -1.79 0.09 0.00 0.00 0.00 0.00 23.12 21.30 2khc s ALA 505 CO 0.03 0.31 0.02 0.00 0.00 0.00 0.00 175.76 176.11 2khc s ALA 506 N -0.01 2.37 0.54 0.00 0.00 -1.26 -5.11 121.76 118.28 2khc s ALA 506 Ca 0.05 -2.00 -0.19 0.00 0.00 0.00 0.00 51.96 49.82 2khc s ALA 506 Cb -0.12 -1.73 -0.06 0.00 0.00 0.00 0.00 23.12 21.21 2khc s ALA 506 CO 0.01 -1.51 1.12 0.00 0.00 0.00 0.00 175.76 175.38 2khc s ALA 507 N 1.18 2.72 -0.95 0.00 0.00 -1.26 -4.94 121.76 118.52 2khc s ALA 507 Ca 0.04 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 2khc s ALA 507 Cb -0.19 -3.34 0.15 0.00 0.00 0.00 0.00 23.12 19.74 2khc s ALA 507 CO -0.11 -0.71 1.11 0.00 0.00 0.00 0.00 175.76 176.05 2khc s ALA 508 N -1.82 3.55 -0.29 0.00 0.00 -1.26 -4.89 121.76 117.04 2khc s ALA 508 Ca 0.72 -2.92 0.05 0.00 0.00 0.00 0.00 51.96 49.80 2khc s ALA 508 Cb -0.23 -3.98 0.19 0.00 0.00 0.00 0.00 23.12 19.11 2khc s ALA 508 CO 0.26 -2.86 0.57 0.00 0.00 0.00 0.00 175.76 173.74 2khc s ALA 509 N 2.17 -2.25 -0.11 0.00 0.00 -1.26 -5.14 121.76 115.18 2khc s ALA 509 Ca 0.32 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.36 2khc s ALA 509 Cb -0.05 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.65 2khc s ALA 509 CO -0.08 -1.75 -0.12 0.00 0.00 0.00 0.00 175.76 173.81 2khc s ALA 510 N 2.80 1.50 0.59 0.00 0.00 -1.26 -4.78 121.76 120.61 2khc s ALA 510 Ca 0.11 -0.63 0.30 0.00 0.00 0.00 0.00 51.96 51.75 2khc s ALA 510 Cb -0.11 -0.83 1.02 0.00 0.00 0.00 0.00 23.12 23.20 2khc s ALA 510 CO -0.26 -0.19 1.31 0.41 0.00 0.00 0.00 175.76 177.03 2khc n GLY 511 N 4.44 -0.78 0.00 0.00 0.00 0.31 -4.65 105.19 104.51 2khc n GLY 511 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2khc n GLY 511 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2khc n LYS 512 N -3.31 0.00 -0.82 1.61 5.02 -1.24 -4.61 118.16 114.81 2khc n LYS 512 Ca 0.26 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.28 2khc n LYS 512 Cb 1.58 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 36.66 2khc n LYS 512 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2khc n GLN 513 N 0.00 -0.64 -0.15 1.97 10.64 -0.54 -4.52 117.38 124.14 2khc n GLN 513 Ca 0.00 -0.19 -0.13 0.00 -1.83 0.00 0.00 57.00 54.85 2khc n GLN 513 Cb 0.00 -1.20 0.13 0.00 -0.86 0.00 0.00 30.24 28.30 2khc n GLN 513 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 2khc n ILE 514 N -3.72 0.00 -2.77 -0.39 -6.64 -1.26 -4.10 119.36 100.48 2khc n ILE 514 Ca -0.00 0.00 -0.31 0.00 -1.77 0.00 0.00 62.75 60.67 2khc n ILE 514 Cb 0.53 -0.42 -0.04 0.00 -1.44 0.00 0.00 39.64 38.27 2khc n ILE 514 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 2khc s GLU 515 N -3.58 3.85 0.00 6.28 2.02 -1.26 -4.01 118.70 121.99 2khc s GLU 515 Ca 0.29 0.63 0.00 0.00 0.02 0.00 0.00 54.97 55.90 2khc s GLU 515 Cb -0.05 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.85 2khc s GLU 515 CO 0.24 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.85 2khc n GLY 516 N -1.26 3.74 3.65 -1.39 0.00 -1.26 -5.05 105.19 103.61 2khc n GLY 516 Ca 0.04 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 2khc n GLY 516 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2khc s PRO 517 N -1.52 4.01 1.03 1.61 0.04 -1.26 -4.92 135.00 133.98 2khc s PRO 517 Ca 0.00 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 2khc s PRO 517 Cb 0.00 -4.00 0.20 0.00 0.04 0.00 0.00 34.50 30.74 2khc s PRO 517 CO 0.00 -1.05 1.08 -1.21 0.04 0.00 0.00 177.00 175.87 2khc s GLU 518 N 4.31 0.20 0.00 4.56 2.02 -1.26 -4.08 118.70 124.45 2khc s GLU 518 Ca 0.72 0.56 0.00 0.00 0.02 0.00 0.00 54.97 56.27 2khc s GLU 518 Cb -0.29 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.23 2khc s GLU 518 CO 0.28 -2.90 0.00 0.41 0.02 0.00 0.00 175.26 173.08 2khc n GLY 519 N -0.81 1.20 1.22 -1.39 0.00 -1.26 -4.90 105.19 99.25 2khc n GLY 519 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2khc n GLY 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khc s ASN 521 N -3.18 5.97 -0.09 0.00 2.47 -0.81 -2.18 114.94 117.13 2khc s ASN 521 Ca 0.44 0.20 -0.06 0.00 0.42 0.00 0.00 52.86 53.87 2khc s ASN 521 Cb 0.40 -1.57 0.03 0.00 -1.45 0.00 0.00 41.25 38.65 2khc s ASN 521 CO -0.02 -0.54 0.22 -0.22 -3.72 0.00 0.00 177.10 172.82 2khc s LEU 522 N -4.40 0.82 -0.21 3.21 0.20 -0.59 -1.60 118.68 116.11 2khc s LEU 522 Ca 0.45 0.45 -0.00 0.00 0.69 0.00 0.00 54.13 55.72 2khc s LEU 522 Cb -0.10 0.69 0.02 0.00 -0.43 0.00 0.00 46.19 46.37 2khc s LEU 522 CO 0.36 -0.12 -0.14 0.12 -0.29 0.00 0.00 176.35 176.28 2khc s PHE 523 N 0.70 2.91 -0.03 5.38 2.19 -0.88 -2.07 117.98 126.18 2khc s PHE 523 Ca -0.05 -1.56 0.06 0.00 0.33 0.00 0.00 56.93 55.71 2khc s PHE 523 Cb -0.06 -1.98 -0.01 0.00 -1.31 0.00 0.00 43.02 39.65 2khc s PHE 523 CO -0.04 -0.75 -0.22 0.96 1.83 0.00 0.00 175.22 176.99 2khc s ILE 524 N 1.31 1.79 -0.52 3.12 -0.00 -0.94 -1.98 121.20 123.99 2khc s ILE 524 Ca 0.03 -0.95 0.04 0.00 -0.00 0.00 0.00 60.65 59.77 2khc s ILE 524 Cb -0.14 -1.50 0.13 0.00 -0.00 0.00 0.00 42.46 40.95 2khc s ILE 524 CO -0.09 0.51 0.27 -0.31 -0.00 0.00 0.00 174.94 175.31 2khc s TYR 525 N -0.37 3.00 0.00 1.37 2.02 -0.92 -1.59 117.35 120.86 2khc s TYR 525 Ca 0.04 -3.07 0.00 0.00 -0.37 0.00 0.00 57.07 53.68 2khc s TYR 525 Cb -0.10 -2.66 0.00 0.00 -0.40 0.00 0.00 41.96 38.80 2khc s TYR 525 CO 0.01 -0.74 0.00 1.58 -1.57 0.00 0.00 175.55 174.83 2khc n HIS 526 N 3.12 0.00 -2.33 2.71 -0.00 -0.33 -3.71 115.22 114.68 2khc n HIS 526 Ca 0.06 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.84 2khc n HIS 526 Cb 0.33 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.16 2khc n HIS 526 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 2khc s LEU 527 N -3.24 4.49 0.96 0.27 0.05 0.37 -3.30 118.68 118.28 2khc s LEU 527 Ca 0.00 2.43 -0.14 0.00 0.05 0.00 0.00 54.13 56.47 2khc s LEU 527 Cb 0.00 -3.66 0.17 0.00 -2.05 0.00 0.00 46.19 40.65 2khc s LEU 527 CO 0.00 -0.32 1.19 -2.16 -0.55 0.00 0.00 176.35 174.51 2khc s PRO 528 N -1.63 0.73 0.63 1.48 0.04 -1.26 0.15 135.00 135.15 2khc s PRO 528 Ca 0.47 0.02 0.35 0.00 0.04 0.00 0.00 61.00 61.89 2khc s PRO 528 Cb -0.35 -1.82 1.99 0.00 0.04 0.00 0.00 34.50 34.36 2khc s PRO 528 CO 0.45 -2.42 2.20 -0.56 0.04 0.00 0.00 177.00 176.71 2khc h GLN 529 N -1.66 0.00 -0.02 4.56 3.07 -1.88 -0.88 115.11 118.31 2khc h GLN 529 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 2khc h GLN 529 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 2khc h GLN 529 CO 0.52 0.00 0.00 -0.85 0.09 0.00 0.00 178.83 178.59 2khc n GLU 530 N -3.37 1.22 -3.58 0.06 0.28 -1.26 -4.83 120.64 109.17 2khc n GLU 530 Ca -0.02 -0.33 -0.38 0.00 -0.16 0.00 0.00 57.16 56.28 2khc n GLU 530 Cb 0.20 -1.45 -0.06 0.00 1.43 0.00 0.00 31.44 31.56 2khc n GLU 530 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2khc s PHE 531 N -1.98 3.68 0.07 -1.84 5.36 -0.34 -5.09 117.98 117.85 2khc s PHE 531 Ca 0.40 0.87 0.01 0.00 -0.96 0.00 0.00 56.93 57.25 2khc s PHE 531 Cb 0.20 -2.23 -0.04 0.00 -0.34 0.00 0.00 43.02 40.61 2khc s PHE 531 CO 0.32 0.63 0.21 0.99 -1.46 0.00 0.00 175.22 175.91 2khc s THR 532 N -0.92 5.32 0.25 0.12 2.01 -1.26 -4.89 115.64 116.27 2khc s THR 532 Ca 0.21 -0.46 0.19 0.00 0.31 0.00 0.00 61.69 61.94 2khc s THR 532 Cb -0.15 -3.61 0.15 0.00 0.01 0.00 0.00 72.50 68.90 2khc s THR 532 CO 0.11 0.11 1.81 -2.24 -0.69 0.00 0.00 174.62 173.71 2khc h ASP 533 N 2.96 0.00 -0.41 3.53 2.03 -1.92 -3.11 116.42 119.50 2khc h ASP 533 Ca -0.46 0.00 0.12 0.00 -0.73 0.00 0.00 57.03 55.96 2khc h ASP 533 Cb 1.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.65 2khc h ASP 533 CO 0.74 0.33 0.30 0.74 -1.03 0.00 0.00 179.24 180.32 2khc h THR 534 N 0.00 0.80 -0.12 1.15 2.02 -1.91 -2.28 112.91 112.57 2khc h THR 534 Ca -0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 2khc h THR 534 Cb 0.75 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2khc h THR 534 CO 0.04 0.00 -0.02 -0.78 0.37 0.00 0.00 175.52 175.14 2khc h ASP 535 N 0.01 0.21 -0.21 4.18 1.82 -1.94 -2.03 116.42 118.47 2khc h ASP 535 Ca 0.20 -0.35 -0.02 0.00 -0.39 0.00 0.00 57.03 56.47 2khc h ASP 535 Cb 0.77 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.72 2khc h ASP 535 CO -0.00 0.51 0.07 -0.07 -1.61 0.00 0.00 179.24 178.13 2khc h LEU 536 N -0.08 0.30 -0.97 2.28 4.07 -1.67 -2.38 115.31 116.86 2khc h LEU 536 Ca 0.03 -0.20 0.11 0.00 0.08 0.00 0.00 57.88 57.90 2khc h LEU 536 Cb 0.41 -0.08 -0.08 0.00 1.08 0.00 0.00 40.66 41.99 2khc h LEU 536 CO 0.01 0.42 0.60 0.00 -1.08 0.00 0.00 178.44 178.40 2khc h ALA 537 N 0.89 1.45 -0.19 1.53 0.00 -1.44 -1.84 119.26 119.67 2khc h ALA 537 Ca 0.07 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2khc h ALA 537 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2khc h ALA 537 CO -0.00 0.22 -0.55 1.03 0.00 0.00 0.00 179.25 179.95 2khc h SER 538 N 0.97 0.62 0.41 0.00 0.87 -1.19 -1.03 113.55 114.20 2khc h SER 538 Ca 0.48 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2khc h SER 538 Cb 0.45 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2khc h SER 538 CO -0.26 1.04 -0.19 0.74 -0.53 0.00 0.00 176.83 177.63 2khc h THR 539 N 0.43 0.37 0.00 2.23 2.02 -0.82 -3.20 112.91 113.94 2khc h THR 539 Ca 0.01 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2khc h THR 539 Cb 1.09 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2khc h THR 539 CO 0.10 0.07 0.00 2.22 0.37 0.00 0.00 175.52 178.29 2khc n PHE 540 N -5.16 0.00 -0.45 3.16 -1.74 -0.95 -4.51 117.46 107.80 2khc n PHE 540 Ca -0.09 0.00 0.37 0.00 -0.56 0.00 0.00 57.45 57.17 2khc n PHE 540 Cb 0.28 -0.35 0.66 0.00 1.52 0.00 0.00 39.48 41.59 2khc n PHE 540 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 2khc h LEU 541 N 0.00 0.22 -0.51 5.98 6.46 -1.17 -2.89 115.31 123.40 2khc h LEU 541 Ca 0.00 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.95 2khc h LEU 541 Cb 0.31 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 2khc h LEU 541 CO 0.00 -0.14 0.96 1.55 -0.62 0.00 0.00 178.44 180.19 2khc h PRO 542 N 0.09 0.00 0.61 5.25 0.13 -1.83 -3.20 132.00 133.06 2khc h PRO 542 Ca 0.81 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.91 2khc h PRO 542 Cb 2.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 33.73 2khc h PRO 542 CO -0.36 0.00 -0.33 0.27 -0.23 0.00 0.00 178.00 177.35 2khc h PHE 543 N 0.00 -0.88 0.00 1.56 -0.00 -1.84 -3.49 116.94 112.28 2khc h PHE 543 Ca 0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.08 2khc h PHE 543 Cb 2.05 0.30 0.00 0.00 -0.00 0.00 0.00 35.95 38.30 2khc h PHE 543 CO 0.00 -0.52 0.00 0.41 -0.00 0.00 0.00 178.31 178.20 2khc n GLY 544 N -1.44 5.15 3.81 6.09 0.00 -1.21 -4.39 105.19 113.20 2khc n GLY 544 Ca -0.11 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 2khc n GLY 544 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2khc s ASN 545 N 1.00 6.36 -0.24 1.61 0.01 -1.07 -4.92 114.94 117.69 2khc s ASN 545 Ca 0.00 0.42 -0.12 0.00 -0.71 0.00 0.00 52.86 52.45 2khc s ASN 545 Cb 0.00 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.51 2khc s ASN 545 CO 0.00 0.29 0.24 -0.69 -1.51 0.00 0.00 177.10 175.43 2khc s VAL 546 N -0.39 5.30 -0.64 1.60 1.01 -1.26 -2.49 120.40 123.53 2khc s VAL 546 Ca 0.13 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.49 2khc s VAL 546 Cb -0.12 -3.58 0.16 0.00 0.00 0.00 0.00 36.38 32.84 2khc s VAL 546 CO 0.02 0.30 0.42 -0.63 0.00 0.00 0.00 175.10 175.21 2khc s ILE 547 N 1.27 2.95 0.05 2.22 1.09 -0.78 -1.47 121.20 126.53 2khc s ILE 547 Ca 0.11 -3.76 0.00 0.00 -1.10 0.00 0.00 60.65 55.90 2khc s ILE 547 Cb -0.14 -2.96 -0.04 0.00 -1.06 0.00 0.00 42.46 38.26 2khc s ILE 547 CO 0.06 -0.92 0.16 -0.94 -0.10 0.00 0.00 174.94 173.21 2khc s SER 548 N -0.73 6.11 0.10 3.58 1.04 -1.26 -2.03 113.70 120.51 2khc s SER 548 Ca 0.21 0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.76 2khc s SER 548 Cb -0.15 -1.83 -0.00 0.00 0.10 0.00 0.00 66.02 64.14 2khc s SER 548 CO -0.08 0.19 0.21 0.00 0.98 0.00 0.00 173.24 174.54 2khc s ALA 549 N -1.43 -0.22 0.10 5.32 0.00 1.04 0.11 121.76 126.68 2khc s ALA 549 Ca 0.31 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.71 2khc s ALA 549 Cb -0.13 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 2khc s ALA 549 CO 0.24 -0.53 -0.16 -1.59 0.00 0.00 0.00 175.76 173.71 2khc s LYS 550 N -3.87 1.00 -0.32 0.00 -2.85 -1.26 -1.97 119.74 110.47 2khc s LYS 550 Ca 0.07 -1.13 0.02 0.00 -1.00 0.00 0.00 55.97 53.93 2khc s LYS 550 Cb 0.05 -1.04 0.09 0.00 -2.06 0.00 0.00 37.83 34.87 2khc s LYS 550 CO -0.10 0.23 0.04 0.54 0.10 0.00 0.00 175.35 176.16 2khc s VAL 551 N -1.54 1.82 -0.01 1.79 0.11 -0.65 -4.87 120.40 117.04 2khc s VAL 551 Ca 0.05 -1.94 -0.02 0.00 -2.93 0.00 0.00 61.98 57.13 2khc s VAL 551 Cb -0.08 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.43 2khc s VAL 551 CO 0.03 -0.54 0.17 0.72 -3.33 0.00 0.00 175.10 172.15 2khc s PHE 552 N 1.15 3.51 0.45 1.54 -0.12 -1.26 -2.21 117.98 121.04 2khc s PHE 552 Ca 0.08 0.34 0.06 0.00 -0.05 0.00 0.00 56.93 57.35 2khc s PHE 552 Cb -0.19 -1.82 -0.04 0.00 -0.63 0.00 0.00 43.02 40.34 2khc s PHE 552 CO -0.12 0.64 0.11 0.42 -0.05 0.00 0.00 175.22 176.21 2khc s ILE 553 N -1.31 1.89 -0.93 -4.49 1.01 -1.26 -4.94 121.20 111.18 2khc s ILE 553 Ca 0.27 -1.84 -0.18 0.00 0.00 0.00 0.00 60.65 58.90 2khc s ILE 553 Cb -0.13 -2.73 0.14 0.00 0.01 0.00 0.00 42.46 39.76 2khc s ILE 553 CO 0.18 0.00 1.09 -1.81 0.00 0.00 0.00 174.94 174.40 2khc s ASP 554 N -3.88 6.67 0.00 3.58 1.01 -1.26 -4.27 116.67 118.52 2khc s ASP 554 Ca 0.31 -2.17 0.24 0.00 0.71 0.00 0.00 52.55 51.63 2khc s ASP 554 Cb 0.05 -2.37 0.37 0.00 1.01 0.00 0.00 42.92 41.97 2khc s ASP 554 CO 0.17 -0.99 1.37 2.29 0.21 0.00 0.00 175.17 178.22 2khc n LYS 555 N 6.17 2.44 -0.12 8.23 -0.00 -1.22 -3.84 118.16 129.81 2khc n LYS 555 Ca 0.23 -2.16 -0.03 0.00 -0.00 0.00 0.00 58.31 56.35 2khc n LYS 555 Cb 0.49 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.99 2khc n LYS 555 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2khc n GLN 556 N 1.43 -0.13 0.00 -1.58 7.27 -1.26 -3.59 117.38 119.52 2khc n GLN 556 Ca 0.18 1.09 0.00 0.00 0.07 0.00 0.00 57.00 58.34 2khc n GLN 556 Cb 0.60 -1.63 0.00 0.00 2.41 0.00 0.00 30.24 31.62 2khc n GLN 556 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2khc n THR 557 N -3.64 0.18 -0.03 1.69 5.66 -1.26 -4.92 114.28 111.95 2khc n THR 557 Ca 0.01 -0.38 -0.03 0.00 -3.05 0.00 0.00 64.05 60.60 2khc n THR 557 Cb 0.08 1.21 -0.01 0.00 -1.55 0.00 0.00 70.33 70.05 2khc n THR 557 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2khc n SER 558 N -0.09 0.79 -3.67 1.09 2.88 -1.24 -5.06 113.62 108.32 2khc n SER 558 Ca 0.00 0.28 -0.11 0.00 -1.33 0.00 0.00 58.87 57.72 2khc n SER 558 Cb 0.18 -0.63 -0.08 0.00 -0.75 0.00 0.00 64.21 62.93 2khc n SER 558 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2khc s LEU 559 N -6.14 -0.43 -0.88 2.46 0.05 -1.25 -5.02 118.68 107.46 2khc s LEU 559 Ca -0.09 1.22 -0.14 0.00 0.05 0.00 0.00 54.13 55.17 2khc s LEU 559 Cb 0.01 1.97 0.21 0.00 -2.05 0.00 0.00 46.19 46.33 2khc s LEU 559 CO 0.13 -0.21 0.88 -0.55 -0.55 0.00 0.00 176.35 176.05 2khc s SER 560 N 1.00 6.80 -0.21 1.48 0.15 -1.26 -3.45 113.70 118.22 2khc s SER 560 Ca -0.06 -2.67 -0.04 0.00 0.70 0.00 0.00 55.95 53.88 2khc s SER 560 Cb -0.05 -2.25 0.10 0.00 -1.71 0.00 0.00 66.02 62.11 2khc s SER 560 CO -0.09 -0.64 0.28 -1.59 1.20 0.00 0.00 173.24 172.40 2khc s LYS 561 N 0.50 0.24 0.35 5.44 -2.85 -1.26 -4.75 119.74 117.41 2khc s LYS 561 Ca 0.22 0.39 0.01 0.00 -1.00 0.00 0.00 55.97 55.60 2khc s LYS 561 Cb -0.09 -0.80 -0.00 0.00 -2.06 0.00 0.00 37.83 34.88 2khc s LYS 561 CO -0.09 -0.60 0.44 0.00 0.10 0.00 0.00 175.35 175.20 2khc s PHE 563 N -3.02 0.82 0.24 0.00 -0.12 -0.43 0.14 117.98 115.61 2khc s PHE 563 Ca 0.32 -0.81 0.11 0.00 -0.05 0.00 0.00 56.93 56.51 2khc s PHE 563 Cb -0.00 -0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 2khc s PHE 563 CO 0.23 -0.14 -0.21 0.20 -0.05 0.00 0.00 175.22 175.25 2khc s GLY 564 N -2.64 1.75 -0.19 1.99 0.00 -0.62 -1.64 107.32 105.97 2khc s GLY 564 Ca 0.06 -1.75 -0.01 0.00 0.00 0.00 0.00 44.72 43.01 2khc s GLY 564 CO -0.04 -1.82 -0.12 -1.36 0.00 0.00 0.00 173.10 169.76 2khc s PHE 565 N -2.24 2.86 -0.23 1.90 0.40 -0.83 -2.22 117.98 117.61 2khc s PHE 565 Ca 0.25 -1.14 0.01 0.00 -0.60 0.00 0.00 56.93 55.46 2khc s PHE 565 Cb -0.06 -1.98 0.05 0.00 0.51 0.00 0.00 43.02 41.55 2khc s PHE 565 CO 0.12 -0.58 -0.08 0.08 0.70 0.00 0.00 175.22 175.46 2khc s VAL 566 N 1.18 1.72 -0.39 -0.44 1.01 -0.88 -1.96 120.40 120.64 2khc s VAL 566 Ca 0.02 -1.26 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 2khc s VAL 566 Cb -0.14 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.39 2khc s VAL 566 CO -0.05 -0.00 0.23 -0.55 0.00 0.00 0.00 175.10 174.73 2khc s SER 567 N 1.32 5.75 -0.18 3.32 0.15 -0.86 -1.54 113.70 121.67 2khc s SER 567 Ca -0.05 -1.11 -0.08 0.00 0.70 0.00 0.00 55.95 55.40 2khc s SER 567 Cb -0.18 -2.03 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 2khc s SER 567 CO -0.07 -0.43 0.11 -0.36 1.20 0.00 0.00 173.24 173.69 2khc s PHE 568 N 1.54 3.39 -0.52 3.44 0.40 -0.92 -1.86 117.98 123.45 2khc s PHE 568 Ca 0.02 0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.69 2khc s PHE 568 Cb -0.20 -2.08 0.13 0.00 0.51 0.00 0.00 43.02 41.38 2khc s PHE 568 CO 0.06 0.35 0.26 -0.51 0.70 0.00 0.00 175.22 176.07 2khc s ASP 569 N 0.05 4.31 0.00 1.36 1.01 -1.04 -2.07 116.67 120.28 2khc s ASP 569 Ca 0.08 -3.00 0.00 0.00 0.71 0.00 0.00 52.55 50.34 2khc s ASP 569 Cb -0.12 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.19 2khc s ASP 569 CO -0.00 -0.23 0.00 -0.46 0.21 0.00 0.00 175.17 174.69 2khc n ASN 570 N 3.13 0.00 -3.96 0.27 0.23 -1.26 -2.59 115.26 111.08 2khc n ASN 570 Ca 0.05 -0.84 -0.30 0.00 -0.53 0.00 0.00 54.58 52.96 2khc n ASN 570 Cb 0.32 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.24 2khc n ASN 570 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 2khc s PRO 571 N -1.53 -0.66 0.64 -0.53 0.02 -1.26 -4.67 135.00 127.01 2khc s PRO 571 Ca 0.00 -0.11 0.27 0.00 0.02 0.00 0.00 61.00 61.18 2khc s PRO 571 Cb 0.00 -1.67 1.42 0.00 0.02 0.00 0.00 34.50 34.27 2khc s PRO 571 CO 0.00 -3.33 1.82 -0.44 -0.33 0.00 0.00 177.00 174.71 2khc h ASP 572 N -2.31 0.00 -0.97 2.53 3.32 -1.96 -1.12 116.42 115.91 2khc h ASP 572 Ca -0.45 0.00 0.28 0.00 0.02 0.00 0.00 57.03 56.88 2khc h ASP 572 Cb 1.28 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.79 2khc h ASP 572 CO 0.37 0.00 0.70 -1.28 -1.72 0.00 0.00 179.24 177.31 2khc h SER 573 N 0.00 0.01 -0.57 6.45 0.87 -1.93 1.71 113.55 120.10 2khc h SER 573 Ca 0.09 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 2khc h SER 573 Cb 1.02 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.95 2khc h SER 573 CO -0.00 0.00 0.10 0.00 -0.53 0.00 0.00 176.83 176.40 2khc h ALA 574 N 1.52 1.03 -0.97 6.23 0.00 -1.49 -1.48 119.26 124.11 2khc h ALA 574 Ca 0.46 -0.25 0.20 0.00 0.00 0.00 0.00 54.91 55.32 2khc h ALA 574 Cb 1.83 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 19.30 2khc h ALA 574 CO -0.01 0.62 0.61 1.96 0.00 0.00 0.00 179.25 182.43 2khc h GLN 575 N 0.92 0.58 -0.13 0.00 7.50 0.24 -0.08 115.11 124.15 2khc h GLN 575 Ca 0.19 -0.04 -0.04 0.00 0.50 0.00 0.00 58.65 59.26 2khc h GLN 575 Cb 0.40 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.80 2khc h GLN 575 CO 0.01 0.39 -0.09 0.28 -1.50 0.00 0.00 178.83 177.92 2khc h VAL 576 N 0.60 1.33 -0.98 -0.54 2.07 -1.15 -2.51 116.25 115.07 2khc h VAL 576 Ca 0.53 -1.17 0.14 0.00 0.82 0.00 0.00 66.70 67.02 2khc h VAL 576 Cb 1.03 1.84 -0.09 0.00 -1.52 0.00 0.00 31.29 32.56 2khc h VAL 576 CO -0.28 0.34 0.62 0.00 0.02 0.00 0.00 177.57 178.27 2khc h ALA 577 N 0.63 1.63 0.13 1.67 0.00 -0.54 -2.05 119.26 120.73 2khc h ALA 577 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2khc h ALA 577 Cb 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2khc h ALA 577 CO 0.02 0.09 -0.06 0.82 0.00 0.00 0.00 179.25 180.12 2khc h ILE 578 N 0.88 0.68 0.00 0.00 2.04 -1.29 -3.17 117.51 116.64 2khc h ILE 578 Ca 0.51 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.07 2khc h ILE 578 Cb 0.64 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2khc h ILE 578 CO -0.28 0.20 -0.37 0.07 0.00 0.00 0.00 178.15 177.78 2khc h LYS 579 N -0.95 0.00 0.00 2.37 5.09 -1.46 -2.66 116.57 118.96 2khc h LYS 579 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 2khc h LYS 579 Cb 0.46 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.79 2khc h LYS 579 CO 0.03 0.37 0.00 0.00 -2.09 0.00 0.00 179.45 177.76 2khc h ALA 580 N 1.63 1.00 -3.33 0.07 0.00 -1.51 -3.44 119.26 113.68 2khc h ALA 580 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 2khc h ALA 580 Cb 0.82 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.25 2khc h ALA 580 CO 0.05 0.00 -0.78 1.41 0.00 0.00 0.00 179.25 179.93 2khc s MET 581 N -3.42 0.96 0.93 0.00 -2.45 -1.00 -5.08 119.30 109.24 2khc s MET 581 Ca 0.04 -0.09 -0.11 0.00 -1.25 0.00 0.00 55.69 54.29 2khc s MET 581 Cb 0.08 -1.08 0.15 0.00 1.25 0.00 0.00 34.83 35.22 2khc s MET 581 CO 0.59 -0.19 1.10 -0.80 1.05 0.00 0.00 175.02 176.78 2khc s ASN 582 N 1.42 2.99 0.00 1.11 0.01 -1.26 -4.79 114.94 114.41 2khc s ASN 582 Ca -0.03 1.86 0.00 0.00 -0.71 0.00 0.00 52.86 53.99 2khc s ASN 582 Cb -0.13 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2khc s ASN 582 CO -0.03 -3.00 0.30 0.61 -1.51 0.00 0.00 177.10 173.47 2khc n GLY 583 N -0.23 -0.45 2.83 0.66 0.00 -1.26 -4.96 105.19 101.78 2khc n GLY 583 Ca 0.09 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2khc n GLY 583 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2khc s PHE 584 N -0.45 1.61 -0.40 1.61 5.36 -1.26 -4.71 117.98 119.74 2khc s PHE 584 Ca 0.00 -1.21 -0.14 0.00 -0.96 0.00 0.00 56.93 54.62 2khc s PHE 584 Cb 0.00 -1.26 0.02 0.00 -0.34 0.00 0.00 43.02 41.44 2khc s PHE 584 CO 0.01 -0.67 0.28 -0.65 -1.46 0.00 0.00 175.22 172.74 2khc s GLN 585 N 1.66 2.94 0.16 10.12 1.11 -1.25 -2.36 119.66 132.03 2khc s GLN 585 Ca -0.02 -1.04 0.08 0.00 0.01 0.00 0.00 55.36 54.39 2khc s GLN 585 Cb -0.17 -3.94 -0.04 0.00 -1.01 0.00 0.00 33.01 27.85 2khc s GLN 585 CO -0.07 -0.74 -0.17 0.08 0.01 0.00 0.00 175.29 174.39 2khc s VAL 586 N 1.66 1.73 0.49 1.09 1.01 -0.91 -4.97 120.40 120.49 2khc s VAL 586 Ca 0.04 -1.92 0.37 0.00 0.00 0.00 0.00 61.98 60.48 2khc s VAL 586 Cb -0.19 -1.81 0.58 0.00 0.00 0.00 0.00 36.38 34.95 2khc s VAL 586 CO 0.09 -0.36 1.63 1.23 0.00 0.00 0.00 175.10 177.69 2khc h GLY 587 N 3.22 0.73 -5.93 4.51 0.00 -2.07 -2.38 103.07 101.15 2khc h GLY 587 Ca -0.41 -0.06 -0.40 0.00 0.00 0.00 0.00 47.33 46.45 2khc h GLY 587 CO 0.52 -0.22 -0.76 -0.51 0.00 0.00 0.00 176.54 175.57 2khc s THR 588 N -5.12 -0.23 -0.30 4.70 -4.23 -1.26 -5.07 115.64 104.12 2khc s THR 588 Ca -0.06 -1.78 -0.09 0.00 -1.18 0.00 0.00 61.69 58.58 2khc s THR 588 Cb 0.28 -0.73 0.17 0.00 1.34 0.00 0.00 72.50 73.57 2khc s THR 588 CO 0.84 -0.71 0.84 -0.75 -0.54 0.00 0.00 174.62 174.31 2khc s LYS 589 N 0.60 0.38 -0.07 3.99 2.20 -0.90 -5.15 119.74 120.79 2khc s LYS 589 Ca 0.29 0.76 0.05 0.00 -0.36 0.00 0.00 55.97 56.70 2khc s LYS 589 Cb -0.01 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.72 2khc s LYS 589 CO -0.11 -0.33 -0.21 0.50 -0.36 0.00 0.00 175.35 174.84 2khc s ARG 590 N 2.82 2.68 0.23 4.03 3.52 -1.24 -2.15 118.95 128.84 2khc s ARG 590 Ca 0.06 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 54.54 2khc s ARG 590 Cb -0.11 -2.29 -0.09 0.00 -1.56 0.00 0.00 34.95 30.90 2khc s ARG 590 CO -0.17 0.41 0.95 -1.17 -0.81 0.00 0.00 175.30 174.51 2khc s LEU 591 N -0.21 4.63 -0.52 -0.88 2.96 -1.00 -4.84 118.68 118.83 2khc s LEU 591 Ca -0.01 1.94 -0.24 0.00 -0.22 0.00 0.00 54.13 55.60 2khc s LEU 591 Cb -0.13 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 42.99 2khc s LEU 591 CO 0.03 0.13 0.90 -1.59 -1.32 0.00 0.00 176.35 174.51 2khc s LYS 592 N -1.08 3.36 -0.42 1.98 0.00 -1.24 -4.06 119.74 118.28 2khc s LYS 592 Ca 0.42 -0.21 -0.23 0.00 0.00 0.00 0.00 55.97 55.95 2khc s LYS 592 Cb -0.26 -4.02 0.02 0.00 0.00 0.00 0.00 37.83 33.57 2khc s LYS 592 CO 0.32 -1.38 0.77 0.54 0.00 0.00 0.00 175.35 175.59 2khc s VAL 593 N 3.76 4.69 -0.44 1.79 0.11 -1.26 -2.17 120.40 126.88 2khc s VAL 593 Ca 0.31 0.52 -0.12 0.00 -2.93 0.00 0.00 61.98 59.76 2khc s VAL 593 Cb -0.12 -4.27 0.08 0.00 -1.53 0.00 0.00 36.38 30.53 2khc s VAL 593 CO 0.20 -0.62 0.32 -1.10 -3.33 0.00 0.00 175.10 170.57 2khc s GLN 594 N 3.18 2.76 0.39 1.54 -0.21 -0.84 -4.94 119.66 121.54 2khc s GLN 594 Ca 0.29 -1.43 -0.20 0.00 0.02 0.00 0.00 55.36 54.04 2khc s GLN 594 Cb -0.13 -3.93 -0.10 0.00 1.00 0.00 0.00 33.01 29.85 2khc s GLN 594 CO 0.21 -0.99 0.90 -1.17 -2.12 0.00 0.00 175.29 172.12 2khc s LEU 595 N 1.51 4.02 -0.31 2.90 0.20 -1.26 -2.08 118.68 123.66 2khc s LEU 595 Ca 0.03 1.62 0.01 0.00 0.69 0.00 0.00 54.13 56.49 2khc s LEU 595 Cb -0.24 -4.36 0.14 0.00 -0.43 0.00 0.00 46.19 41.30 2khc s LEU 595 CO 0.04 -0.28 0.32 -1.59 -0.29 0.00 0.00 176.35 174.55 2khc s LYS 596 N -2.97 0.42 0.00 1.98 -2.85 -0.63 -4.98 119.74 110.71 2khc s LYS 596 Ca 0.59 -0.35 0.18 0.00 -1.00 0.00 0.00 55.97 55.39 2khc s LYS 596 Cb -0.11 -0.67 1.09 0.00 -2.06 0.00 0.00 37.83 36.09 2khc s LYS 596 CO 0.15 -1.08 1.49 0.36 0.10 0.00 0.00 175.35 176.37